CHEBI:52019 - dicloxacillin sodium monohydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dicloxacillin sodium monohydrate
ChEBI ID CHEBI:52019
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C19H16Cl2N3O5S.Na.H2O
C19H18Cl2N3NaO6S
Net Charge 0
Average Mass 510.32300
Monoisotopic Mass 509.01911
InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey SIGZQNJITOWQEF-VICXVTCVSA-M
SMILES [Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing dicloxacillin sodium monohydrate (CHEBI:52019) has part dicloxacillin sodium (CHEBI:34691)
dicloxacillin sodium monohydrate (CHEBI:52019) is a hydrate (CHEBI:35505)
IUPAC Name
sodium 6β-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylate—water (1/1)
Synonyms Sources
Dicloxacillin sodium ChemIDplus
Dicloxacillin sodium hydrate ChemIDplus
Dicloxacillin sodium monohydrate KEGG COMPOUND
Dicloxacillin sodium salt hydrate ChemIDplus
sodium (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate IUPAC
Manual Xrefs Databases
C13756 KEGG COMPOUND
D02137 KEGG DRUG
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Registry Number Type Source
13412-64-1 CAS Registry Number ChemIDplus
Last Modified
28 July 2014